In-Silico Structure Database (LMISSD)
Common Name
TG(29:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/36:0)
Systematic Name
1-nonacosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-hexatriacontanoyl-sn-glycerol
LM ID
LMGL0301J0UI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1341.252790
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
JUMOGPAZNACPLT-GLTOWBESSA-N
InChi (Click to copy)
InChI=1S/C90H164O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-43-44-45-46-47-48-50-52-54-57-59-62-65-68-71-74-77-80-83-89(92)95-86-87(96-90(93)84-81-78-75-72-69-66-63-60-55-33-30-27-24-21-18-15-12-9-6-3)85-94-88(91)82-79-76-73-70-67-64-61-58-56-53-51-49-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,55,60,66,69,75,78,87H,4-8,10-11,13-17,19-20,22-26,28-29,31-54,56-59,61-65,67-68,70-74,76-77,79-86H2,1-3H3/b12-9-,21-18-,30-27-,60-55-,69-66-,78-75-/t87-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O